0 mol 1 unq 0 iso 0 dist 8.3673 8.83387 9.67796 7.58747 10.3005 9.21329 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.3673 8.83387 9.67796 6.38325 13.546 8.54277 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 6.62508 5.98169 11.4558 13.5108 17.7636 9.28621 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 6.62508 5.98169 11.4558 5.51879 6.87842 8.94643 numMergedOcc 0
4 mol 28 unq 2 iso 0 dist 6.62508 5.98169 11.4558 11.3454 12.7609 8.36195 numMergedOcc 0
5 mol 28 unq 3 iso 0 dist 9.77719 6.76158 16.4255 6.18197 15.209 5.42412 numMergedOcc 0
6 mol 28 unq 4 iso 0 dist 9.77719 7.423 16.0765 6.18197 15.209 8.09862 numMergedOcc 0
7 mol 28 unq 5 iso 0 dist 9.77719 7.423 16.0765 13.6562 18.206 8.97167 numMergedOcc 0
8 mol 28 unq 6 iso 0 dist 9.77719 5.89257 13.6412 6.18197 15.209 8.89114 numMergedOcc 0
9 mol 28 unq 7 iso 0 dist 9.77719 5.89257 13.6412 13.6562 18.206 8.8182 numMergedOcc 0
10 mol 32 unq 0 iso 0 dist 8.33273 7.52145 6.37026 5.64731 11.8156 7.72377 numMergedOcc 0
11 mol 32 unq 1 iso 0 dist 9.16481 8.35776 5.33785 12.3204 12.1605 7.72377 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 5.82829 4.74574 7.21298 7.40375 12.5728 8.988 numMergedOcc 0
13 mol 62 unq 0 iso 0 dist 8.14006 5.23167 5.87787 4.29159 6.27293 7.01397 numMergedOcc 0
14 mol 90 unq 0 iso 0 dist 7.15918 7.30934 5.4118 9.63545 12.0429 7.01987 numMergedOcc 0
15 mol 135 unq 0 iso 0 dist 8.55869 5.60595 4.98191 7.61563 13.1009 8.18584 numMergedOcc 0
16 mol 135 unq 1 iso 0 dist 8.55869 5.60595 4.98191 8.84813 13.5519 9.85803 numMergedOcc 0
17 mol 135 unq 2 iso 0 dist 6.65965 5.60595 5.83178 7.61563 12.9827 8.18584 numMergedOcc 0
18 mol 135 unq 3 iso 0 dist 6.65965 5.60595 5.83178 8.84813 13.564 9.85803 numMergedOcc 0
19 mol 159 unq 0 iso 0 dist 9.50607 8.11352 7.43333 4.67118 9.45909 8.61788 numMergedOcc 0
20 mol 168 unq 0 iso 0 dist 8.96534 8.47439 14.2042 7.36888 13.3545 5.52214 numMergedOcc 0
21 mol 168 unq 1 iso 0 dist 8.65328 8.47439 10.919 7.36888 8.18217 5.52214 numMergedOcc 0
22 mol 168 unq 2 iso 0 dist 5.69346 8.47439 6.65321 7.36888 9.35431 5.52214 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 5.87263 6.18165 3.18152 12.2667 7.06772 6.27378 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 7.87612 6.80203 3.52721 6.94063 11.3775 8.82481 numMergedOcc 0
25 mol 171 unq 1 iso 0 dist 5.98495 8.00826 8.19592 4.53761 10.0101 8.82481 numMergedOcc 0
26 mol 182 unq 0 iso 0 dist 6.39008 6.78641 3.53123 7.78206 11.21 8.7486 numMergedOcc 0
27 mol 182 unq 1 iso 0 dist 6.39008 6.78641 3.53123 3.94722 9.82379 9.06707 numMergedOcc 0
28 mol 198 unq 0 iso 0 dist 8.18482 9.55667 3.70259 7.58767 9.40433 7.95437 numMergedOcc 0
29 mol 220 unq 0 iso 0 dist 6.05978 6.18239 3.52598 9.31156 11.2633 9.80204 numMergedOcc 0
30 mol 225 unq 0 iso 0 dist 4.58113 6.15671 5.31124 5.97855 8.69052 6.35772 numMergedOcc 0
31 mol 258 unq 0 iso 0 dist 8.34536 8.95095 6.41309 12.1402 12.9773 6.90511 numMergedOcc 0
32 mol 266 unq 0 iso 0 dist 6.61768 6.9943 3.68488 4.80695 9.51145 9.90506 numMergedOcc 0
33 mol 266 unq 1 iso 0 dist 6.61768 6.9943 3.68488 4.47412 10.1964 9.03341 numMergedOcc 0
34 mol 266 unq 2 iso 0 dist 6.61768 7.36685 3.14784 8.13583 8.9221 6.39822 numMergedOcc 0
35 mol 266 unq 3 iso 0 dist 6.61768 7.36685 3.14784 4.80695 9.51145 8.61077 numMergedOcc 0
36 mol 266 unq 4 iso 0 dist 6.61768 9.03099 5.95721 8.13583 8.9221 5.36518 numMergedOcc 0
37 mol 266 unq 5 iso 0 dist 6.61768 9.03099 5.95721 4.80695 9.51145 9.11585 numMergedOcc 0
38 mol 269 unq 0 iso 0 dist 8.45348 6.8127 6.30793 13.6116 14.8548 9.20068 numMergedOcc 0
39 mol 277 unq 0 iso 0 dist 8.20902 7.34927 10.5214 4.00063 6.42951 9.07744 numMergedOcc 0
40 mol 277 unq 1 iso 0 dist 8.20902 7.34927 10.5214 13.5537 11.5117 8.42892 numMergedOcc 0
41 mol 277 unq 2 iso 0 dist 8.20902 7.34927 10.5214 12.5125 18.819 8.90967 numMergedOcc 0
